N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(2H-1,3-benzodioxol-5-ylmethyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

Formula: C26H22N2O5

SMILES: COC1=CC=C(C=C1OC)C1=NC2=CC=CC=C2C(=C1)C(=O)NCC1=CC=C2OCOC2=C1

IUPAC: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

InChI: InChI=1S/C26H22N2O5/c1-30-22-10-8-17(12-24(22)31-2)21-13-19(18-5-3-4-6-20(18)28-21)26(29)27-14-16-7-9-23-25(11-16)33-15-32-23/h3-13H,14-15H2,1-2H3,(H,27,29)

Composition: C (70.58%), H (5.01%), N (6.33%), O (18.08%)

Molar Mass: 442.471

Atom Count: 55

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	442.152871816
Formal Charge	0
FSP3	0.15
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BNPLMKAINQHEKG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.02
Topological Polar Surface Area	78.91
Polarizability	49.67
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H22N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00